SCHEMBL4566367

SCHEMBL4566367

COC(=O)c1cncc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.53
SKP1 P63208 2/20 0.53
SKP2 Q13309 2/20 0.53
GPR119 Q8TDV5 8/20 0.49
MAP4K4 O95819 1/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H2 P55055 1/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
PTPN11 Q06124 1/20 0.42
PGK1 P00558 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GBA1 P04062 1/20 0.41
ACHE P22303 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31706158 1.00 CKS1B (0.53) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL31705240 1.00 CKS1B (0.53) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL2065516 0.85 GPR119 (0.44) CKS1BSKP1SKP2GPR119NR1H2
SCHEMBL2065518 0.85 GPR119 (0.44) CKS1BSKP1SKP2GPR119NR1H2
SCHEMBL25164433 0.83 CYP11B2 (0.51) CKS1BSKP1SKP2GPR119TSHR
SCHEMBL4431585 0.82 HRH3 (0.56) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL23560770 0.82 CKS1B (0.57) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL881997 0.81 CKS1B (0.54) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL1432688 0.81 CKS1B (0.56) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL1432444 0.81 CKS1B (0.56) CKS1BSKP1SKP2GPR119MAP4K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
EP-3578562-B1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES ANACOR PHARMACEUTICALS INC (US) 2021-06-23 EP disclosed
US-10882872-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10562921-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-3578562-A1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES Anacor Pharmaceuticals, Inc (US) 2019-12-11 EP disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 WO disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
WO-2012064569-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 CKS1B 4877/4885SKP1 4743/4885SKP2 4443/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 CKS1B 4877/4885SKP1 4743/4885SKP2 4443/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 CKS1B 4877/4885SKP1 4743/4885SKP2 4443/4885
US-10562921-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 CKS1B 4877/4885SKP1 4743/4885SKP2 4443/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.